5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine

C25H17N7OS — CID 141035121

IUPAC5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine
SMILESc1ccc(N2C(c3cccs3)=C(c3ccco3)N=C(c3cccnn3)C2c2ncccn2)nc1
InChIInChI=1S/C25H17N7OS/c1-2-11-26-20(10-1)32-23(19-9-5-16-34-19)22(18-8-4-15-33-18)30-21(17-7-3-14-29-31-17)24(32)25-27-12-6-13-28-25/h1-16,24H
InChIKeyCXLWQLPGLXJWHQ-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.89
Rot. Bonds5

About 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine

5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine (PubChem CID 141035121) has the molecular formula C25H17N7OS and a molecular weight of 463.53 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine.

Molecular Properties

Compound Name5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine
PubChem CID141035121
Molecular FormulaC25H17N7OS
Molecular Weight463.53 g/mol
Exact Mass463.12
IUPAC Name5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine
SMILESc1ccc(N2C(c3cccs3)=C(c3ccco3)N=C(c3cccnn3)C2c2ncccn2)nc1
InChIInChI=1S/C25H17N7OS/c1-2-11-26-20(10-1)32-23(19-9-5-16-34-19)22(18-8-4-15-33-18)30-21(17-7-3-14-29-31-17)24(32)25-27-12-6-13-28-25/h1-16,24H
InChIKeyCXLWQLPGLXJWHQ-UHFFFAOYSA-N
XLogP4.89
TPSA93.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

Furan-2-ylmethyl-[(1-phenethyl-1H-tetrazol-5-yl)-pyridin-2-yl-methyl]-thiophen-2-ylmethyl-amine
CID 650607
4-[2-[3-(Furan-2-yl)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-yl]ethyl]morpholine
CID 70685037
4-[3-[3-(Furan-2-yl)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-yl]propyl]morpholine
CID 70691362
N,N-diethyl-3-[3-(furan-2-yl)-5-[2-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-4-yl]sulfanyl-1,2,4-triazol-4-yl]propan-1-amine
CID 70693484
2-(((6-(Furan-2-yl)pyridazin-3-yl)thio)methyl)imidazo[1,2-a]pyridine
CID 45497465
4-Ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133420896
N-(furan-2-ylmethyl)-2-methyl-6-(5-thiophen-2-yl-3-pyridinyl)pyrimidin-4-amine
CID 3649040
1-[2-(Furan-2-YL)-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL]-4-(pyridin-2-YL)piperazine
CID 15761651
4-[4-(Furan-2-yl)-7-thiophen-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]morpholine
CID 102450079
Furan-2-yl-[4-(4-thiophen-2-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 132455519
2-(Furan-2-yl)-7-(pyridin-2-ylmethylsulfanyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 22002455
4-(2-Furylmethylsulfanylmethyl)-6-morpholin-4-yl-2-pyridin-2-yl-pyrimidine
CID 58137203

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine?
The IUPAC name of 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine (CID 141035121) is 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine.
What is the SMILES notation for 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine?
The canonical SMILES for 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine is c1ccc(N2C(c3cccs3)=C(c3ccco3)N=C(c3cccnn3)C2c2ncccn2)nc1.
What is the InChIKey of 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine?
The InChIKey is CXLWQLPGLXJWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N7OS/c1-2-11-26-20(10-1)32-23(19-9-5-16-34-19)22(18-8-4-15-33-18)30-21(17-7-3-14-29-31-17)24(32)25-27-12-6-13-28-25/h1-16,24H.
What are the key properties of 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine?
5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine has a molecular weight of 463.53 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-pyridazin-3-yl-1-pyridin-2-yl-2-pyrimidin-2-yl-6-thiophen-2-yl-2H-pyrazine is sourced from PubChem (CID 141035121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).